HRID1557378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID53401194

6-Bromo-5-fluoropyridine-2-carboxylic acid

C6H3BrFNO2

结构：CC(=O)OC1C(C)CC(c2ccncc2N)CC1NC(=O)OC(C)(C)C

HCID68411339

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(Br)n2)CC1NC(=O)OC(C)(C)C

HCID87496015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe278e2705044236a17c21c76e7105d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:27][c:28]1[c:29]([F:37])[cH:30][cH:31][c:32]([C:34](=[O:35])[OH:36])[n:33]1.[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:7][CH:8]([c:12]2[c:13]([NH2:18])[cH:14][n:15][cH:16][cH:17]2)[CH2:9][CH:10]1[CH3:11].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:7][CH:8]([c:12]2[c:13]([NH:18][C:34]([c:32]3[cH:31][cH:30][c:29]([F:37])[c:28]([Br:27])[n:33]3)=[O:35])[cH:14][n:15][cH:16][cH:17]2)[CH2:9][CH:10]1[CH3:11]